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808768-95-8 | Benzeneacetic acid, 3-[2-[(chloroacetyl)amino]-2-methylpropyl]-
CAS No: 808768-95-8 Catalog No: AG0050TO MDL No:
Product Description
Catalog Number:
AG0050TO
Chemical Name:
Benzeneacetic acid, 3-[2-[(chloroacetyl)amino]-2-methylpropyl]-
CAS Number:
808768-95-8
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
IUPAC Name:
2-[3-[2-[(2-chloroacetyl)amino]-2-methylpropyl]phenyl]acetic acid
InChI:
InChI=1S/C14H18ClNO3/c1-14(2,16-12(17)9-15)8-11-5-3-4-10(6-11)7-13(18)19/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
UQNLWWFJRHNKDQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(Cc1cccc(c1)CC(=O)O)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.752g/mol
Monoisotopic Mass:
283.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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